Phase Equilibrium Calculations in Mixtures Containing Caprolactam with a UNIFAC Model

›› 2010, Vol. 18 ›› Issue (2): 286-291.

Phase Equilibrium Calculations in Mixtures Containing Caprolactam with a UNIFAC Model

龚行楚, 吕阳成, 骆广生

The State Key Laboratory of Chemical Engineering, Department of Chemical Engineering, Tsinghua University, Beijing 100084, China

收稿日期:2009-12-19 修回日期:2010-02-28 出版日期:2010-04-28 发布日期:2010-04-28
通讯作者: LUO Guangsheng,E-mail:gsluo@tsinghua.edu.cn
基金资助:
Supported by the National Natural Science Foundation of China(20490200,20525622);the National Basic Research Program of China(2007CB714302)

Phase Equilibrium Calculations in Mixtures Containing Caprolactam with a UNIFAC Model

GONG Xingchu, LÜ Yangcheng, LUO Guangsheng

The State Key Laboratory of Chemical Engineering, Department of Chemical Engineering, Tsinghua University, Beijing 100084, China

Received:2009-12-19 Revised:2010-02-28 Online:2010-04-28 Published:2010-04-28
Supported by:
Supported by the National Natural Science Foundation of China(20490200,20525622);the National Basic Research Program of China(2007CB714302)

摘要/Abstract

摘要： An extended liquid-liquid equilibrium(LLE) UNIFAC model is proposed to describe phase equilibria of mixtures containing caprolactam.In this model,caprolactam is introduced as a new group.New group interaction parameters are calibrated from 156 sets of liquid-liquid equilibrium data.The present model gives satisfactory correlation and prediction in liquid-liquid equilibrium,including quaternary systems containing the mixed solvent of an alcohol and an alkane.The model can be applied to predict caprolactam solubility in water and benzene accurately.Freezing point and vapor-liquid equilibrium of binary systems containing caprolactam are also predicted with the extended LLE UNIFAC model.Satisfactory prediction results are obtained.

关键词: caprolactam, UNIFAC model, liquid-liquid equilibrium, solid-liquid equilibrium, vapor-liquid equilibrium

Abstract: An extended liquid-liquid equilibrium(LLE) UNIFAC model is proposed to describe phase equilibria of mixtures containing caprolactam.In this model,caprolactam is introduced as a new group.New group interaction parameters are calibrated from 156 sets of liquid-liquid equilibrium data.The present model gives satisfactory correlation and prediction in liquid-liquid equilibrium,including quaternary systems containing the mixed solvent of an alcohol and an alkane.The model can be applied to predict caprolactam solubility in water and benzene accurately.Freezing point and vapor-liquid equilibrium of binary systems containing caprolactam are also predicted with the extended LLE UNIFAC model.Satisfactory prediction results are obtained.

Key words: caprolactam, UNIFAC model, liquid-liquid equilibrium, solid-liquid equilibrium, vapor-liquid equilibrium

龚行楚, 吕阳成, 骆广生. Phase Equilibrium Calculations in Mixtures Containing Caprolactam with a UNIFAC Model[J]. , 2010, 18(2): 286-291.

GONG Xingchu, LÜ Yangcheng, LUO Guangsheng. Phase Equilibrium Calculations in Mixtures Containing Caprolactam with a UNIFAC Model[J]. , 2010, 18(2): 286-291.

参考文献

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Phase Equilibrium Calculations in Mixtures Containing Caprolactam with a UNIFAC Model

Phase Equilibrium Calculations in Mixtures Containing Caprolactam with a UNIFAC Model

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